4391-87-1
4-ETHYL-5-FORMYL-3-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTER
Name4-ETHYL-5-FORMYL-3-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTER
1Identification
【Name】
4-ETHYL-5-FORMYL-3-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD00447433
【English Synonyms】
【Formula】
C11 H15 N O3
【MolWeight】
209.243
【Inchi】
InChI=1S/C11H15NO3/c1-4-8-7(3)10(11(14)15-5-2)12-9(8)6-13/h6,12H,4-5H2,1-3H3
【InChIKey】
InChIKey=ZPKWGTHVNZEDTD-UHFFFAOYSA-N
【SMILES】
CCc1c(c([nH]c1C=O)C(=O)OCC)C
【MOL File】
4-ETHYL-5-FORMYL-3-M….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-ETHYL-5-FORMYL-3-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTER.cml